1-[4-[4-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(2-thioxo-1,3-benzoxazol-3-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(2-thioxo-1,3-benzoxazol-3-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C20H22N3O2S+ MolecularWeight: 368.47258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=S

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=S

InChI

InChI=1S/C20H21N3O2S/c1-15(24)16-6-8-17(9-7-16)22-12-10-21(11-13-22)14-23-18-4-2-3-5-19(18)25-20(23)26/h2-9H,10-14H2,1H3/p+1